7,8-dimethoxy-3-methyl-5-(4-nitrophenoxy)-1,2,4,5-tetrahydro-3-benzazepine; ethanedioic acid

Systemtic Name: 7,8-dimethoxy-3-methyl-5-(4-nitrophenoxy)-1,2,4,5-tetrahydro-3-benzazepine; ethanedioic acid Openeye Name: 7,8-dimethoxy-3-methyl-5-(4-nitrophenoxy)-1,2,4,5-tetrahydro-3-benzazepine; oxalic acid CAS Name: 7,8-dimethoxy-3-methyl-5-(4-nitrophenoxy)-1,2,4,5-tetrahydro-3-benzazepine; oxalic acid IUPAC Name: 7,8-dimethoxy-3-methyl-5-(4-nitrophenoxy)-1,2,4,5-tetrahydro-3-benzazepine; oxalic acid Traditional Name: 7,8-dimethoxy-3-methyl-5-(4-nitrophenoxy)-1,2,4,5-tetrahydro-3-benzazepine; oxalic acid Formula: C21H24N2O9 MolecularWeight: 448.42326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C(C1)OC3=CC=C(C=C3)[N+](=O)[O-])OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC2=CC(=C(C=C2C(C1)OC3=CC=C(C=C3)[N+](=O)[O-])OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H22N2O5.C2H2O4/c1-20-9-8-13-10-17(24-2)18(25-3)11-16(13)19(12-20)26-15-6-4-14(5-7-15)21(22)23;3-1(4)2(5)6/h4-7,10-11,19H,8-9,12H2,1-3H3;(H,3,4)(H,5,6)